6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene

C24H13F7O — CID 139855616

IUPAC6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene
SMILESCOc1cc(F)c(-c2ccc(-c3ccc4c(F)c(C(F)(F)F)ccc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C24H13F7O/c1-32-15-10-20(26)22(21(27)11-15)14-3-5-16(19(25)9-14)12-2-6-17-13(8-12)4-7-18(23(17)28)24(29,30)31/h2-11H,1H3
InChIKeyKXORADLHBLTCED-UHFFFAOYSA-N
MW450.35 g/mol
LogP7.76
Rot. Bonds3

About 6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene

6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene (PubChem CID 139855616) has the molecular formula C24H13F7O and a molecular weight of 450.35 g/mol. Its IUPAC name is 6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene
PubChem CID139855616
Molecular FormulaC24H13F7O
Molecular Weight450.35 g/mol
Exact Mass450.09
IUPAC Name6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene
SMILESCOc1cc(F)c(-c2ccc(-c3ccc4c(F)c(C(F)(F)F)ccc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C24H13F7O/c1-32-15-10-20(26)22(21(27)11-15)14-3-5-16(19(25)9-14)12-2-6-17-13(8-12)4-7-18(23(17)28)24(29,30)31/h2-11H,1H3
InChIKeyKXORADLHBLTCED-UHFFFAOYSA-N
XLogP7.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.35
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139855989
2-(difluoromethoxy)-6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene
CID 139855704
1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)naphthalene
CID 139856614
1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(trifluoromethyl)naphthalene
CID 139856344
6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene
CID 139847195
6-[4-(4-but-2-enoxy-2,6-difluorophenyl)-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
CID 139856044
2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139856467
2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene
CID 139856152
6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855536
6-(4-ethoxy-2,6-difluorophenyl)-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139875560
6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855641
6-[4-(4-ethyl-2,6-difluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847159

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene?
The IUPAC name of 6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene (CID 139855616) is 6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene.
What is the SMILES notation for 6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene?
The canonical SMILES for 6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene is COc1cc(F)c(-c2ccc(-c3ccc4c(F)c(C(F)(F)F)ccc4c3)c(F)c2)c(F)c1.
What is the InChIKey of 6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene?
The InChIKey is KXORADLHBLTCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F7O/c1-32-15-10-20(26)22(21(27)11-15)14-3-5-16(19(25)9-14)12-2-6-17-13(8-12)4-7-18(23(17)28)24(29,30)31/h2-11H,1H3.
What are the key properties of 6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene?
6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene has a molecular weight of 450.35 g/mol, XLogP of 7.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene is sourced from PubChem (CID 139855616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).